#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg6 s THR 6 N 0.00 2.07 -1.43 0.52 2.01 -1.26 -4.71 115.64 112.84 1rg6 s THR 6 Ca 0.00 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1rg6 s THR 6 Cb 0.00 -1.78 0.07 0.00 0.01 0.00 0.00 72.50 70.80 1rg6 s THR 6 CO 0.00 0.56 0.67 0.47 -0.69 0.00 0.00 174.62 175.63 1rg6 n ASP 7 N 3.52 -4.36 -1.15 3.53 8.00 -1.26 -4.82 116.55 120.02 1rg6 n ASP 7 Ca -0.19 -0.53 0.03 0.00 0.71 0.00 0.00 54.79 54.81 1rg6 n ASP 7 Cb 0.53 -3.55 0.02 0.00 -0.02 0.00 0.00 41.12 38.10 1rg6 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rg6 n SER 9 N 0.30 0.06 0.23 0.00 3.41 -1.26 -2.00 113.62 114.36 1rg6 n SER 9 Ca 0.04 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1rg6 n SER 9 Cb 0.99 -1.44 0.55 0.00 -0.26 0.00 0.00 64.21 64.05 1rg6 n SER 9 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1rg6 h ILE 10 N -1.70 0.73 0.15 -1.33 2.04 -1.81 -3.14 117.51 112.46 1rg6 h ILE 10 Ca -0.44 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1rg6 h ILE 10 Cb 1.28 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1rg6 h ILE 10 CO 0.41 0.22 -0.07 0.58 0.00 0.00 0.00 178.15 179.28 1rg6 h VAL 11 N 0.00 0.85 -0.95 1.67 2.07 -1.90 -2.13 116.25 115.87 1rg6 h VAL 11 Ca -0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1rg6 h VAL 11 Cb 0.56 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1rg6 h VAL 11 CO 0.03 0.00 0.57 0.28 0.02 0.00 0.00 177.57 178.47 1rg6 h SER 12 N -0.20 1.14 -0.91 0.57 0.02 -1.92 -2.80 113.55 109.45 1rg6 h SER 12 Ca -0.02 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1rg6 h SER 12 Cb 0.16 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1rg6 h SER 12 CO 0.03 0.88 0.60 0.15 -1.14 0.00 0.00 176.83 177.35 1rg6 h PHE 13 N 1.31 1.15 -0.70 3.45 3.57 -1.47 -2.70 116.94 121.55 1rg6 h PHE 13 Ca 0.34 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1rg6 h PHE 13 Cb -0.05 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.27 1rg6 h PHE 13 CO 0.01 0.73 0.31 -0.07 -2.23 0.00 0.00 178.31 177.05 1rg6 h LEU 14 N 1.23 0.93 -0.75 0.59 3.38 -1.12 -2.68 115.31 116.90 1rg6 h LEU 14 Ca 0.33 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1rg6 h LEU 14 Cb -0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 1rg6 h LEU 14 CO -0.07 0.83 0.49 0.00 0.09 0.00 0.00 178.44 179.78 1rg6 h ALA 15 N 1.14 0.95 0.00 1.53 0.00 -1.35 0.99 119.26 122.52 1rg6 h ALA 15 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rg6 h ALA 15 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1rg6 h ALA 15 CO -0.02 0.36 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 1rg6 h ARG 16 N 1.01 0.00 -0.65 0.00 3.08 -1.28 -0.51 114.38 116.03 1rg6 h ARG 16 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1rg6 h ARG 16 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1rg6 h ARG 16 CO -0.06 0.09 0.00 -0.11 -1.07 0.00 0.00 179.97 178.82 1rg6 n LEU 17 N -4.36 3.57 -1.23 3.04 7.94 -0.45 -4.92 117.00 120.60 1rg6 n LEU 17 Ca -0.03 -1.79 -0.13 0.00 -1.11 0.00 0.00 56.01 52.96 1rg6 n LEU 17 Cb 0.17 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.64 1rg6 n LEU 17 CO 0.34 0.85 -0.14 0.61 -1.11 0.00 0.00 177.39 177.94 1rg6 n GLY 18 N 1.48 0.50 3.57 -3.96 0.00 -0.20 -5.01 105.19 101.57 1rg6 n GLY 18 Ca 0.22 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1rg6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg6 n SER 20 N -0.56 0.00 0.31 0.00 7.64 -1.26 -2.89 113.62 116.86 1rg6 n SER 20 Ca -0.07 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.01 1rg6 n SER 20 Cb 0.58 0.00 0.98 0.00 -1.01 0.00 0.00 64.21 64.76 1rg6 n SER 20 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1rg6 h SER 21 N 0.00 0.00 -0.03 6.43 4.64 -1.99 -1.69 113.55 120.90 1rg6 h SER 21 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rg6 h SER 21 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rg6 h SER 21 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1rg6 h LEU 23 N 2.71 1.08 -1.41 0.00 5.85 -1.69 -2.53 115.31 119.32 1rg6 h LEU 23 Ca 0.00 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.91 1rg6 h LEU 23 Cb 0.58 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1rg6 h LEU 23 CO 0.00 0.73 0.60 0.44 -0.34 0.00 0.00 178.44 179.87 1rg6 h ASP 24 N 1.25 0.49 -0.73 1.25 3.32 -1.80 -1.39 116.42 118.81 1rg6 h ASP 24 Ca 0.41 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.44 1rg6 h ASP 24 Cb 0.04 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1rg6 h ASP 24 CO -0.14 0.19 0.21 1.88 -1.72 0.00 0.00 179.24 179.67 1rg6 h TYR 25 N 0.49 1.20 -0.38 4.55 0.05 -1.77 -1.09 116.97 120.02 1rg6 h TYR 25 Ca 0.49 -0.13 -0.16 0.00 0.05 0.00 0.00 58.73 58.98 1rg6 h TYR 25 Cb 1.10 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1rg6 h TYR 25 CO -0.00 0.96 -0.39 0.74 -1.05 0.00 0.00 178.16 178.41 1rg6 h PHE 26 N 1.10 1.13 -0.34 4.88 0.04 -1.37 -2.96 116.94 119.42 1rg6 h PHE 26 Ca 0.23 -0.34 -0.13 0.00 2.80 0.00 0.00 57.97 60.53 1rg6 h PHE 26 Cb 0.33 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1rg6 h PHE 26 CO 0.03 1.18 -0.31 1.79 -0.60 0.00 0.00 178.31 180.39 1rg6 h THR 27 N 0.76 1.29 0.00 -1.55 1.35 -1.33 -1.33 112.91 112.10 1rg6 h THR 27 Ca 0.06 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1rg6 h THR 27 Cb 0.99 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1rg6 h THR 27 CO 0.10 0.48 0.00 0.74 -0.25 0.00 0.00 175.52 176.59 1rg6 h THR 28 N 0.59 0.00 -0.01 6.82 2.02 -1.22 -2.86 112.91 118.25 1rg6 h THR 28 Ca 0.06 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1rg6 h THR 28 Cb 0.89 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1rg6 h THR 28 CO 0.08 0.00 -0.64 0.00 0.37 0.00 0.00 175.52 175.32 1rg6 n GLN 29 N -2.71 0.72 -0.37 6.66 1.13 -1.12 -4.96 117.38 116.74 1rg6 n GLN 29 Ca 0.00 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.48 1rg6 n GLN 29 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1rg6 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rg6 n GLY 30 N 1.45 0.77 3.53 1.08 0.00 -1.08 -5.04 105.19 105.89 1rg6 n GLY 30 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1rg6 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg6 s LEU 31 N 0.00 4.55 -0.06 0.99 1.02 -0.52 -4.93 118.68 119.73 1rg6 s LEU 31 Ca 0.00 -0.44 0.12 0.00 0.02 0.00 0.00 54.13 53.83 1rg6 s LEU 31 Cb 0.00 -2.14 0.22 0.00 0.02 0.00 0.00 46.19 44.29 1rg6 s LEU 31 CO 0.00 -0.24 1.10 0.35 0.02 0.00 0.00 176.35 177.58 1rg6 n THR 32 N 5.11 0.79 -3.87 5.49 -2.24 -1.26 -3.86 114.28 114.43 1rg6 n THR 32 Ca -0.13 -1.23 -0.10 0.00 -2.27 0.00 0.00 64.05 60.32 1rg6 n THR 32 Cb 0.50 0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.94 1rg6 n THR 32 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rg6 s THR 33 N -1.19 0.11 0.26 4.28 2.01 -1.26 -3.31 115.64 116.54 1rg6 s THR 33 Ca 0.20 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1rg6 s THR 33 Cb 0.20 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.96 1rg6 s THR 33 CO -0.04 -0.48 1.63 -0.29 -0.69 0.00 0.00 174.62 174.75 1rg6 h ILE 34 N 3.78 1.34 -1.00 1.82 2.10 -1.65 -3.26 117.51 120.64 1rg6 h ILE 34 Ca -0.32 -1.72 0.01 0.00 1.08 0.00 0.00 64.86 63.91 1rg6 h ILE 34 Cb 1.19 1.80 -0.05 0.00 -1.09 0.00 0.00 36.82 38.67 1rg6 h ILE 34 CO 0.46 0.51 0.66 1.88 -1.08 0.00 0.00 178.15 180.59 1rg6 h TYR 35 N 0.22 1.26 0.00 2.19 0.05 -1.97 -2.27 116.97 116.47 1rg6 h TYR 35 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1rg6 h TYR 35 Cb 0.95 -0.43 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1rg6 h TYR 35 CO 0.02 0.80 0.00 -0.56 -1.05 0.00 0.00 178.16 177.37 1rg6 h GLN 36 N 1.36 0.00 -0.27 4.88 3.07 -1.99 -2.63 115.11 119.53 1rg6 h GLN 36 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1rg6 h GLN 36 Cb -0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.40 1rg6 h GLN 36 CO -0.08 0.00 0.00 0.44 0.09 0.00 0.00 178.83 179.28 1rg6 n ILE 37 N -2.96 0.33 0.17 1.86 -5.35 -0.88 -4.40 119.36 108.12 1rg6 n ILE 37 Ca 0.01 -0.66 0.06 0.00 -0.27 0.00 0.00 62.75 61.89 1rg6 n ILE 37 Cb 0.29 1.14 0.54 0.00 -1.74 0.00 0.00 39.64 39.86 1rg6 n ILE 37 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1rg6 h GLU 38 N 4.52 0.18 0.00 6.28 4.39 -1.13 -2.67 114.58 126.14 1rg6 h GLU 38 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1rg6 h GLU 38 Cb 0.98 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1rg6 h GLU 38 CO 0.00 0.16 -1.73 0.72 -1.16 0.00 0.00 179.01 177.00 1rg6 n HIS 39 N -4.47 0.30 -1.80 4.33 8.25 -1.26 -4.94 115.22 115.63 1rg6 n HIS 39 Ca -0.01 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 1rg6 n HIS 39 Cb 0.12 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 30.54 1rg6 n HIS 39 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rg6 s TYR 40 N -3.39 2.64 0.00 4.41 1.51 -1.01 -5.02 117.35 116.49 1rg6 s TYR 40 Ca -0.06 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.07 1rg6 s TYR 40 Cb 0.12 -4.03 0.00 0.00 -0.11 0.00 0.00 41.96 37.94 1rg6 s TYR 40 CO 0.87 -3.14 0.00 0.43 -1.11 0.00 0.00 175.55 172.60 1rg6 n SER 41 N 0.92 0.91 -0.27 2.29 7.64 -1.26 -4.92 113.62 118.94 1rg6 n SER 41 Ca 0.03 -0.81 -0.05 0.00 1.01 0.00 0.00 58.87 59.04 1rg6 n SER 41 Cb 0.39 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1rg6 n SER 41 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1rg6 h MET 42 N 0.00 0.99 -0.04 1.43 2.86 -1.95 -1.99 114.93 116.22 1rg6 h MET 42 Ca 0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1rg6 h MET 42 Cb 0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1rg6 h MET 42 CO 0.00 0.70 0.02 0.38 1.06 0.00 0.00 176.91 179.07 1rg6 h ASP 43 N 1.00 0.06 -0.47 1.22 2.03 -1.96 -2.48 116.42 115.81 1rg6 h ASP 43 Ca 0.26 -0.14 -0.02 0.00 -0.73 0.00 0.00 57.03 56.40 1rg6 h ASP 43 Cb -0.04 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.42 1rg6 h ASP 43 CO -0.05 0.18 0.24 0.44 -1.03 0.00 0.00 179.24 179.03 1rg6 h ASP 44 N -0.08 0.64 0.62 4.15 3.32 -1.91 -1.98 116.42 121.18 1rg6 h ASP 44 Ca 0.01 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1rg6 h ASP 44 Cb 0.15 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1rg6 h ASP 44 CO -0.00 0.55 -0.38 0.25 -1.72 0.00 0.00 179.24 177.94 1rg6 h LEU 45 N 0.71 0.00 -0.34 1.55 5.85 -1.19 -3.15 115.31 118.75 1rg6 h LEU 45 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1rg6 h LEU 45 Cb 0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1rg6 h LEU 45 CO -0.02 0.38 0.23 0.00 -0.34 0.00 0.00 178.44 178.68 1rg6 h ALA 46 N 1.62 0.44 -0.03 1.25 0.00 -0.89 -1.68 119.26 119.96 1rg6 h ALA 46 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rg6 h ALA 46 Cb 0.79 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rg6 h ALA 46 CO 0.05 -0.11 0.28 0.66 0.00 0.00 0.00 179.25 180.13 1rg6 h SER 47 N 0.46 0.00 0.00 0.00 4.64 -1.60 -0.09 113.55 116.97 1rg6 h SER 47 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1rg6 h SER 47 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1rg6 h SER 47 CO -0.03 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.82 1rg6 n LEU 48 N -3.01 0.00 0.00 5.97 7.94 -0.63 -4.82 117.00 122.44 1rg6 n LEU 48 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1rg6 n LEU 48 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1rg6 n LEU 48 CO 0.16 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.73 1rg6 n LYS 49 N -0.87 -0.11 -2.71 1.96 5.02 -0.05 -4.81 118.16 116.60 1rg6 n LYS 49 Ca 0.11 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 1rg6 n LYS 49 Cb 0.05 -3.01 -0.06 0.00 -0.02 0.00 0.00 35.03 31.99 1rg6 n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rg6 s ILE 50 N -2.47 4.05 1.12 -0.18 1.01 -1.25 -5.03 121.20 118.45 1rg6 s ILE 50 Ca 0.00 1.72 -0.13 0.00 0.00 0.00 0.00 60.65 62.25 1rg6 s ILE 50 Cb 0.00 -3.97 0.26 0.00 0.01 0.00 0.00 42.46 38.76 1rg6 s ILE 50 CO 0.00 0.16 1.05 -2.16 0.00 0.00 0.00 174.94 173.99 1rg6 s PRO 51 N -2.03 -0.57 0.24 2.79 0.04 -1.26 -4.76 135.00 129.45 1rg6 s PRO 51 Ca 0.50 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.25 1rg6 s PRO 51 Cb -0.21 -1.61 0.28 0.00 0.04 0.00 0.00 34.50 33.00 1rg6 s PRO 51 CO 0.26 -3.45 1.60 0.93 0.04 0.00 0.00 177.00 176.39 1rg6 h GLU 52 N -2.42 0.40 -0.00 4.56 5.08 -1.99 -2.88 114.58 117.33 1rg6 h GLU 52 Ca -0.60 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 1rg6 h GLU 52 Cb 1.34 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1rg6 h GLU 52 CO 0.53 0.79 0.00 0.37 -1.00 0.00 0.00 179.01 179.70 1rg6 h GLN 53 N 0.33 0.00 -0.01 2.33 4.15 -2.03 -0.57 115.11 119.30 1rg6 h GLN 53 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1rg6 h GLN 53 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1rg6 h GLN 53 CO 0.08 0.00 -0.58 1.19 -1.93 0.00 0.00 178.83 177.59 1rg6 n PHE 54 N -3.09 0.00 -0.11 3.99 3.01 -1.10 -4.03 117.46 116.13 1rg6 n PHE 54 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 1rg6 n PHE 54 Cb 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1rg6 n PHE 54 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rg6 h ARG 55 N 1.36 0.94 0.00 -1.08 3.08 -1.03 -2.56 114.38 115.09 1rg6 h ARG 55 Ca 0.00 -0.51 -0.13 0.00 0.07 0.00 0.00 59.98 59.41 1rg6 h ARG 55 Cb 0.58 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1rg6 h ARG 55 CO 0.00 1.17 -0.91 1.12 -1.07 0.00 0.00 179.97 180.28 1rg6 h HIS 56 N 0.76 0.00 -0.14 3.04 2.07 -1.77 -3.09 115.15 116.01 1rg6 h HIS 56 Ca 0.05 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.55 1rg6 h HIS 56 Cb 1.01 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.99 1rg6 h HIS 56 CO 0.07 0.50 -0.02 0.00 -3.07 0.00 0.00 177.93 175.41 1rg6 h ALA 57 N 1.50 0.20 -0.23 6.11 0.00 -1.68 -2.33 119.26 122.83 1rg6 h ALA 57 Ca -0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1rg6 h ALA 57 Cb 1.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1rg6 h ALA 57 CO 0.05 -0.07 -0.29 0.82 0.00 0.00 0.00 179.25 179.77 1rg6 h ILE 58 N -0.02 1.32 -0.93 0.00 1.08 -1.59 -3.22 117.51 114.16 1rg6 h ILE 58 Ca 0.04 -1.48 0.03 0.00 -0.39 0.00 0.00 64.86 63.06 1rg6 h ILE 58 Cb 0.44 1.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.88 1rg6 h ILE 58 CO 0.01 0.46 0.61 -0.25 -0.69 0.00 0.00 178.15 178.29 1rg6 h TRP 59 N 0.29 1.14 -0.82 1.37 7.01 -1.57 -2.64 115.95 120.74 1rg6 h TRP 59 Ca 0.03 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1rg6 h TRP 59 Cb 0.86 -0.38 -0.04 0.00 -2.10 0.00 0.00 29.16 27.50 1rg6 h TRP 59 CO 0.08 0.67 0.54 -0.22 -2.79 0.00 0.00 178.44 176.73 1rg6 h LYS 60 N 1.19 1.08 -0.11 2.65 3.64 -1.42 -2.13 116.57 121.47 1rg6 h LYS 60 Ca 0.36 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1rg6 h LYS 60 Cb -0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1rg6 h LYS 60 CO -0.10 0.72 -0.39 0.78 -2.27 0.00 0.00 179.45 178.18 1rg6 h GLY 61 N 1.11 0.26 1.02 5.01 0.00 -1.53 -3.07 103.07 105.87 1rg6 h GLY 61 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1rg6 h GLY 61 CO -0.06 0.22 0.05 -2.22 0.00 0.00 0.00 176.54 174.52 1rg6 h ILE 62 N 0.20 1.26 -0.31 2.60 2.04 -1.13 -2.89 117.51 119.28 1rg6 h ILE 62 Ca 0.02 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1rg6 h ILE 62 Cb 0.79 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1rg6 h ILE 62 CO 0.06 0.37 0.20 -0.07 0.00 0.00 0.00 178.15 178.72 1rg6 h LEU 63 N 0.82 0.35 -1.02 1.44 3.38 -1.36 -2.70 115.31 116.23 1rg6 h LEU 63 Ca 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1rg6 h LEU 63 Cb 0.47 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1rg6 h LEU 63 CO 0.02 0.26 0.66 0.44 0.09 0.00 0.00 178.44 179.91 1rg6 h ASP 64 N 0.42 1.15 -0.68 -0.43 3.32 -1.55 -2.61 116.42 116.04 1rg6 h ASP 64 Ca 0.12 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1rg6 h ASP 64 Cb -0.04 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 1rg6 h ASP 64 CO -0.03 0.83 0.45 -0.74 -1.72 0.00 0.00 179.24 178.04 1rg6 h HIS 65 N 1.36 0.86 -1.00 4.55 2.76 -1.27 -2.56 115.15 119.85 1rg6 h HIS 65 Ca 0.37 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 1rg6 h HIS 65 Cb -0.16 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 28.46 1rg6 h HIS 65 CO -0.00 0.55 0.66 -0.09 -1.30 0.00 0.00 177.93 177.75 1rg6 h ARG 66 N 0.93 1.32 -0.77 5.26 2.43 -1.21 -2.39 114.38 119.95 1rg6 h ARG 66 Ca 0.25 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1rg6 h ARG 66 Cb -0.10 -0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 29.11 1rg6 h ARG 66 CO -0.05 0.88 0.51 1.96 -1.51 0.00 0.00 179.97 181.76 1rg6 h GLN 67 N 1.36 1.02 0.00 0.20 4.20 -1.28 -2.27 115.11 118.34 1rg6 h GLN 67 Ca 0.37 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.91 1rg6 h GLN 67 Cb -0.15 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.38 1rg6 h GLN 67 CO -0.08 0.68 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.19 1rg6 h LEU 68 N 1.05 0.00 -8.76 1.46 3.38 -1.30 -3.41 115.31 107.74 1rg6 h LEU 68 Ca 0.28 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.60 1rg6 h LEU 68 Cb -0.12 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.46 1rg6 h LEU 68 CO -0.06 0.49 -0.27 -1.00 0.09 0.00 0.00 178.44 177.70 1rg6 s HIS 69 N -3.88 3.21 0.14 1.13 3.76 -0.85 -4.94 115.29 113.86 1rg6 s HIS 69 Ca -0.02 0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.80 1rg6 s HIS 69 Cb 0.13 -2.68 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 1rg6 s HIS 69 CO 0.74 -0.42 1.47 0.93 -0.85 0.00 0.00 174.74 176.60 1rg6 h GLU 70 N 8.44 0.94 -0.02 1.40 5.08 -1.80 -3.46 114.58 125.16 1rg6 h GLU 70 Ca -0.30 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 1rg6 h GLU 70 Cb 1.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1rg6 h GLU 70 CO 0.69 1.16 0.00 0.34 -1.00 0.00 0.00 179.01 180.21